ethyl 4-(4-chlorophenyl)carbonyl-2-oxidanylidene-1-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)carbonyl-2-oxidanylidene-1-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylate Openeye Name: ethyl 4-(4-chlorobenzoyl)-2-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylate CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-2-oxo-1-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorobenzoyl)-2-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylate Traditional Name: 4-(4-chlorobenzoyl)-2-keto-1-[4-(pyrrolidine-1-carbonyl)benzyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid ethyl ester Formula: C31H30ClN3O5 MolecularWeight: 560.04

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CN(CC(=O)N2CC3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)C5=CC=C(C=C5)Cl)C=C1

Isomeric SMILES

CCOC(=O)C1=CC2=C(CN(CC(=O)N2CC3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)C5=CC=C(C=C5)Cl)C=C1

InChI

InChI=1S/C31H30ClN3O5/c1-2-40-31(39)24-9-10-25-19-34(30(38)23-11-13-26(32)14-12-23)20-28(36)35(27(25)17-24)18-21-5-7-22(8-6-21)29(37)33-15-3-4-16-33/h5-14,17H,2-4,15-16,18-20H2,1H3